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56241-09-9 | 4-Chloro-1(2H)-isoquinolone
CAS No: 56241-09-9 Catalog No: AG003L7F MDL No:MFCD01861859
Product Description
Catalog Number:
AG003L7F
Chemical Name:
4-Chloro-1(2H)-isoquinolone
CAS Number:
56241-09-9
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD01861859
IUPAC Name:
4-chloro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6ClNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChI Key:
MVWIXKFNHOXLBU-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c2c1cccc2)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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